8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 472492
• Molecular Formular: C17H23NO3S
• Molecular Mass: 321.43442
• Monoisotopic Mass: 321.1398646
• SMILES: c1(sc(cc1)C1OCCC1)C(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C17H23NO3S/c19-16(15-5-4-14(22-15)13-3-1-11-20-13)18-9-7-17(8-10-18)6-2-12-21-17/h4-5,13H,1-3,6-12H2
• InChIKey: AEYUKQXORWWEST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-{[5-(tetrahydro-2-furanyl)-2-thienyl]carbonyl}-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9486526
• LogD (pH = 7.4): 1.9486526
• Log P: 1.9486526
• Molar Refractivity: 86.2882 cm^3
• Polarizability: 33.16274 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.33
• LOG S: -2.68
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2